Geometry & MOs

Info

ID:	344676
PubChem CID:	127268264
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	372.11775
ΔH_f, kcal/mol:	-160.75
Dipole, Da:	5.66
IP(EA), eV:	-9.8(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-benzylpiperazin-1-yl)sulfonylthiane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CCC(CC1)NS(=O)(=O)CC2CCCCO2

DOS

IR

Vibrations